1-methyl-3-propan-2-ylidenecyclohexane

C10H18 — CID 518828

IUPAC1-methyl-3-propan-2-ylidenecyclohexane
SMILESCC(C)=C1CCCC(C)C1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h9H,4-7H2,1-3H3
InChIKeyNBSQIOVLBNJEFJ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds

About 1-methyl-3-propan-2-ylidenecyclohexane

1-methyl-3-propan-2-ylidenecyclohexane (PubChem CID 518828) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylidenecyclohexane.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylidenecyclohexane
PubChem CID518828
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-methyl-3-propan-2-ylidenecyclohexane
SMILESCC(C)=C1CCCC(C)C1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h9H,4-7H2,1-3H3
InChIKeyNBSQIOVLBNJEFJ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylidenecyclohexane?
The IUPAC name of 1-methyl-3-propan-2-ylidenecyclohexane (CID 518828) is 1-methyl-3-propan-2-ylidenecyclohexane.
What is the SMILES notation for 1-methyl-3-propan-2-ylidenecyclohexane?
The canonical SMILES for 1-methyl-3-propan-2-ylidenecyclohexane is CC(C)=C1CCCC(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-ylidenecyclohexane?
The InChIKey is NBSQIOVLBNJEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h9H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylidenecyclohexane?
1-methyl-3-propan-2-ylidenecyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylidenecyclohexane is sourced from PubChem (CID 518828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).